SCHEMBL7315273

SCHEMBL7315273

CC(=O)c1cc(C(F)(F)F)nn1-c1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.51
PTGS1 P23219 2/20 0.51
KLKB1 P03952 3/20 0.47
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
F10 P00742 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
MAPK14 Q16539 2/20 0.42
PDPK1 O15530 2/20 0.42
NCOR2 Q9Y618 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7323109 0.81 PTGS2 (0.50) PTGS2PTGS1KLKB1F10CARM1
SCHEMBL14887387 0.80 PTGS2 (0.57) PTGS2PTGS1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL31566300 0.79 PTGS2 (0.56) PTGS2PTGS1HDAC3HDAC4HDAC1
SCHEMBL22417077 0.78 KLKB1 (0.54) PTGS2PTGS1KLKB1GRNSORT1
SCHEMBL23428814 0.77 KLKB1 (0.80) KLKB1F10CARM1
SCHEMBL18218817 0.75 GRN (0.62) PTGS2PTGS1KLKB1GRNSORT1
SCHEMBL23977439 0.75 NR3C2 (0.53) PTGS2PTGS1KLKB1PDPK1LMNA
SCHEMBL3277337 0.75 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL27638006 0.75 CYP2C9 (0.52) PTGS2PTGS1KLKB1CYP2C9
SCHEMBL15948863 0.75 GRN (0.61) GRNSORT1MAPK14MAPK13MAPK12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US disclosed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 PTGS2 158/4885PTGS1 197/4885KLKB1 800/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.